methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate

C15H16N2O2S — CID 80556382

IUPACmethyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate
SMILESCOC(=O)c1cccc(-c2nc3c(s2)CN(C)CC3)c1
InChIInChI=1S/C15H16N2O2S/c1-17-7-6-12-13(9-17)20-14(16-12)10-4-3-5-11(8-10)15(18)19-2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyCONGNZIHQCIMFT-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.58
Rot. Bonds2

About methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate

methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate (PubChem CID 80556382) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate
PubChem CID80556382
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Namemethyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate
SMILESCOC(=O)c1cccc(-c2nc3c(s2)CN(C)CC3)c1
InChIInChI=1S/C15H16N2O2S/c1-17-7-6-12-13(9-17)20-14(16-12)10-4-3-5-11(8-10)15(18)19-2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyCONGNZIHQCIMFT-UHFFFAOYSA-N
XLogP2.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate?
The IUPAC name of methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate (CID 80556382) is methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate.
What is the SMILES notation for methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate?
The canonical SMILES for methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate is COC(=O)c1cccc(-c2nc3c(s2)CN(C)CC3)c1.
What is the InChIKey of methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate?
The InChIKey is CONGNZIHQCIMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-17-7-6-12-13(9-17)20-14(16-12)10-4-3-5-11(8-10)15(18)19-2/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate?
methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate has a molecular weight of 288.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate is sourced from PubChem (CID 80556382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).